(3R,4S)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone supplier

Name
(3R-cis)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone
EINECS
CAS No. 149107-92-6
Article Data2
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point 89-94 °C
Formula C₂₀H₂₁NO₄
Boiling Point 459.6 °C at 760 mmHg
Molecular Weight 339.391
Flash Point 231.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Azetidinone,1-benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-, (3R-cis)-;(3R-cis)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone;
PSA 55.84000
LogP 3.11590

(3R,4S)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone Specification

The CAS register number of (3R,4S)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone is 149107-92-6. It also can be called as (3R-cis)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone and the systematic name about this chemical is (3R,4S)-3-(1-methoxy-1-methylethoxy)-4-phenyl-1-(phenylcarbonyl)azetidin-2-one.

Physical properties about (3R,4S)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.19; (4)ACD/BCF (pH 5.5): 27.15; (5)ACD/BCF (pH 7.4): 27.15; (6)ACD/KOC (pH 5.5): 369.73; (7)ACD/KOC (pH 7.4): 369.73; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 55.84Å²; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 94.02 cm³; (13)Molar Volume: 276.4 cm³; (14)Polarizability: 37.27x10^-24cm³; (15)Surface Tension: 50.7 dyne/cm; (16)Enthalpy of Vaporization: 72.01 kJ/mol; (17)Boiling Point: 459.6 °C at 760 mmHg; (18)Vapour Pressure: 1.25E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)N3C(=O)[C@H](OC(C)(C)OC)[C@@H]3c2ccccc2
(2)InChI: InChI=1/C20H21NO4/c1-20(2,24-3)25-17-16(14-10-6-4-7-11-14)21(19(17)23)18(22)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+/m0/s1
(3)InChIKey: SVGIEMHCAPRHEZ-DLBZAZTEBM
(4)Std. InChI: InChI=1S/C20H21NO4/c1-20(2,24-3)25-17-16(14-10-6-4-7-11-14)21(19(17)23)18(22)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+/m0/s1
(5)Std. InChIKey: SVGIEMHCAPRHEZ-DLBZAZTESA-N

Product Name

(3R-cis)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone

(3R,4S)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone Specification

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